(3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

C23H26F5N3O2 — CID 165405273

IUPAC(3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(F)(F)F)CC1)Cc1cc(F)c(O)cc1F
InChIInChI=1S/C23H26F5N3O2/c1-31(2)16(8-15-9-19(25)20(32)11-18(15)24)13-30-21(33)10-17(14-4-3-7-29-12-14)22(5-6-22)23(26,27)28/h3-4,7,9,11-12,16-17,32H,5-6,8,10,13H2,1-2H3,(H,30,33)/t16-,17+/m0/s1
InChIKeyQCWYFKMGIVPSAG-DLBZAZTESA-N
MW471.47 g/mol
LogP4.17
Rot. Bonds9

About (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

(3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 165405273) has the molecular formula C23H26F5N3O2 and a molecular weight of 471.47 g/mol. Its IUPAC name is (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID165405273
Molecular FormulaC23H26F5N3O2
Molecular Weight471.47 g/mol
Exact Mass471.19
IUPAC Name(3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(F)(F)F)CC1)Cc1cc(F)c(O)cc1F
InChIInChI=1S/C23H26F5N3O2/c1-31(2)16(8-15-9-19(25)20(32)11-18(15)24)13-30-21(33)10-17(14-4-3-7-29-12-14)22(5-6-22)23(26,27)28/h3-4,7,9,11-12,16-17,32H,5-6,8,10,13H2,1-2H3,(H,30,33)/t16-,17+/m0/s1
InChIKeyQCWYFKMGIVPSAG-DLBZAZTESA-N
XLogP4.17
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 165405273) is (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(F)(F)F)CC1)Cc1cc(F)c(O)cc1F.
What is the InChIKey of (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is QCWYFKMGIVPSAG-DLBZAZTESA-N. The full InChI is InChI=1S/C23H26F5N3O2/c1-31(2)16(8-15-9-19(25)20(32)11-18(15)24)13-30-21(33)10-17(14-4-3-7-29-12-14)22(5-6-22)23(26,27)28/h3-4,7,9,11-12,16-17,32H,5-6,8,10,13H2,1-2H3,(H,30,33)/t16-,17+/m0/s1.
What are the key properties of (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
(3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 471.47 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-3-(2,5-difluoro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 165405273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).